AMBER Archive (2002)

Subject: Re: The link is out

From: David Case (case_at_scripps.edu)
Date: Wed Feb 20 2002 - 11:20:00 CST


On Wed, Feb 20, 2002, St?phane Teletch?a wrote:

> Nevertheless, i was searching for any benchmark of the cluster with
> water-explicit simulations (PME on). Here, it seems that having two nodes
> working instead of one doesn't prove to be very usefull.

You should be able to get good speedup (factor > 1.8) on two nodes with
any reasonable interconnect (even 100 Mbyte ethernet) with PME. If you
are not getting that, it's worth trying to figure out why...the detailed
timings that come with Amber 7 often help, but it still can be a difficult
task....

>
> Le Mardi 19 Février 2002 21:45, Jung-Hsing Lin a écrit :
> >
> > sander 7 is about twice as fast as sander 6, also the scalabilty is
> > better. sander 7 can also use more nodes than sander 6.

This is over-optimistic for most problems, in my experience. The final
sander code is now frozen, and we will post benchmarks soon, probably next
week.

..regards...dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================